CID 601611

4-(1,3-dioxan-2-yl)phenol

Structural Information

Molecular Formula
C10H12O3
SMILES
C1COC(OC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C10H12O3/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10-11H,1,6-7H2
InChIKey
ZDZGYLATOWPKKW-UHFFFAOYSA-N
Compound name
4-(1,3-dioxan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

180.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.4
[M+Na]+ 203.06786 142.4
[M-H]- 179.07136 142.8
[M+NH4]+ 198.11246 152.8
[M+K]+ 219.04180 142.8
[M+H-H2O]+ 163.07590 130.1
[M+HCOO]- 225.07684 155.2
[M+CH3COO]- 239.09249 175.8
[M+Na-2H]- 201.05331 144.3
[M]+ 180.07809 134.0
[M]- 180.07919 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe